2-N-ethyl-1-N-(3-ethylpentan-3-yl)-2-methylpropane-1,2-diamine

C13H30N2 — CID 65041307

IUPAC2-N-ethyl-1-N-(3-ethylpentan-3-yl)-2-methylpropane-1,2-diamine
SMILESCCNC(C)(C)CNC(CC)(CC)CC
InChIInChI=1S/C13H30N2/c1-7-13(8-2,9-3)15-11-12(5,6)14-10-4/h14-15H,7-11H2,1-6H3
InChIKeyJTCPJMLHCHQVFY-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.93
Rot. Bonds8

About 2-N-ethyl-1-N-(3-ethylpentan-3-yl)-2-methylpropane-1,2-diamine

2-N-ethyl-1-N-(3-ethylpentan-3-yl)-2-methylpropane-1,2-diamine (PubChem CID 65041307) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is 2-N-ethyl-1-N-(3-ethylpentan-3-yl)-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-1-N-(3-ethylpentan-3-yl)-2-methylpropane-1,2-diamine
PubChem CID65041307
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC Name2-N-ethyl-1-N-(3-ethylpentan-3-yl)-2-methylpropane-1,2-diamine
SMILESCCNC(C)(C)CNC(CC)(CC)CC
InChIInChI=1S/C13H30N2/c1-7-13(8-2,9-3)15-11-12(5,6)14-10-4/h14-15H,7-11H2,1-6H3
InChIKeyJTCPJMLHCHQVFY-UHFFFAOYSA-N
XLogP2.93
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-ethyl-2-N-[2-(ethylamino)-2-methylpropyl]-2-methylpropane-1,2-diamine
CID 134313991
2-(ethylamino)-2-methylpropan-1-ol
CID 15105174
2-N,2-diethylbutane-1,2-diamine
CID 62066019
2-N-ethyl-2-methyl-1-N-(2-methylbutyl)propane-1,2-diamine
CID 62835035
ethane;N-ethyl-1-methoxy-2-methylpropan-2-amine
CID 177317291
2-N-ethyl-2-methyl-1-N-(5-methylhexyl)propane-1,2-diamine
CID 115326129
1-N-(3-ethylpentan-3-yl)-2-phenylpropane-1,2-diamine
CID 65041408
2-N-ethyl-2-methyl-1-N-(5,5,5-trifluoropentyl)propane-1,2-diamine
CID 115520295
1-chloro-1-N,1-N'-diethylpropane-1,1-diamine;hydrochloride
CID 161482790
N-ethyl-2-methyloctan-2-amine
CID 123477104
ethyl-[2-(ethylamino)-2-methylpropyl]-dimethylazanium
CID 123984846
2-N-(2,2-dimethylbutyl)-1-N,2-dimethylpropane-1,2-diamine
CID 115133048

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-1-N-(3-ethylpentan-3-yl)-2-methylpropane-1,2-diamine?
The IUPAC name of 2-N-ethyl-1-N-(3-ethylpentan-3-yl)-2-methylpropane-1,2-diamine (CID 65041307) is 2-N-ethyl-1-N-(3-ethylpentan-3-yl)-2-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-1-N-(3-ethylpentan-3-yl)-2-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-1-N-(3-ethylpentan-3-yl)-2-methylpropane-1,2-diamine is CCNC(C)(C)CNC(CC)(CC)CC.
What is the InChIKey of 2-N-ethyl-1-N-(3-ethylpentan-3-yl)-2-methylpropane-1,2-diamine?
The InChIKey is JTCPJMLHCHQVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-7-13(8-2,9-3)15-11-12(5,6)14-10-4/h14-15H,7-11H2,1-6H3.
What are the key properties of 2-N-ethyl-1-N-(3-ethylpentan-3-yl)-2-methylpropane-1,2-diamine?
2-N-ethyl-1-N-(3-ethylpentan-3-yl)-2-methylpropane-1,2-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-1-N-(3-ethylpentan-3-yl)-2-methylpropane-1,2-diamine is sourced from PubChem (CID 65041307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).